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Topic: How to resolve it..?  (Read 2519 times)

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Offline adhikary

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How to resolve it..?
« on: April 04, 2014, 01:17:18 AM »
Dear Scholars, I'm doing a optimization job using Gaussian-09. In this case Im using b3lyp/6-311+G(d,p) basis set. I found an error message as:

Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 NTrRot=    -1 NTRed=   156 NAtoms=    34 NSkip=    60 IsLin=F
 Error in internal coordinate system.
 Error termination via Lnk1e in /home/adhikary/g09/l103.exe at Tue Apr  1 17:20:53 2014.
 Job cpu time:  1 days  3 hours 39 minutes  1.1 seconds.
 File lengths (MBytes):  RWF=    314 Int=      0 D2E=      0 Chk=     23 Scr=      1

How can I rectify the errors....? Please suggest me.

Keshab K. Adhikary
Keshab K. Adhikary
Center for Environment and Energy Research
Ghent University Global Campus
Yeonsu-Gu, Incheon; S. Korea

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